SCHEMBL12470870

SCHEMBL12470870

COc1ccc(-c2nc3cc(C(F)(F)F)ccc3s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.59
HDAC6 Q9UBN7 1/20 0.56
APP P05067 5/20 0.54
SULT1A1 P50225 1/20 0.54
ILK Q13418 2/20 0.53
MAPT P10636 1/20 0.50
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
AHR P35869 1/20 0.49
AGPAT2 O15120 1/20 0.48
DYRK1A Q13627 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15455623 0.84 AHR (0.70) KDM4ESMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL2136362 0.84 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL12639217 0.84 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL15462903 0.84 ATP4A (0.56) KDM4ESMN1; SMN2NPC1RAB9AILK
SCHEMBL15455680 0.82 ILK (0.51) KDM4EILKMAPTGLAGAA
SCHEMBL3055139 0.82 MAPT (0.69) KDM4ESMN1; SMN2NPC1RAB9AAPP
SCHEMBL4805108 0.82 AHR (0.71) KDM4ESMN1; SMN2NPC1PKMRAB9A
SCHEMBL4804958 0.82 MAPT (0.56) KDM4ESMN1; SMN2NPC1RAB9AHDAC6
SCHEMBL12471049 0.82 AHR (0.53) KDM4ESMN1; SMN2RAB9AILKMAPT
SCHEMBL2138665 0.81 ILK (0.54) KDM4ESMN1; SMN2NPC1PKMRAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US claimed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO claimed
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NAT UNIV IND COOP FOUND (KR) 2015-12-24 US disclosed
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US disclosed
US-8889881-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor Pusan National University Industry —University Cooperation Foundation (KR) 2014-11-18 US disclosed
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR Pusan National University Indusrtyuniversity (KR) 2014-02-06 US disclosed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR KDM4E 3430/4885SMN1; SMN2 3671/4885NPC1 3522/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD KDM4E 3588/4885SMN1; SMN2 4087/4885NPC1 3207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.